3,5-Dimethylisoxazole-4-isocyanate
TL;DR: 3,5-Dimethylisoxazole-4-isocyanate (CAS 131825-41-7) is a chemical compound with molecular formula C6H6N2O2 and molecular weight 138.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-isocyanato-3,5-dimethyl-1,2-oxazole
Also Known As: null, 3,5-Dimethylisoxazol-4-yl isocyanate, 4-isocyanato-3,5-dimethyl-1,2-oxazole, 4-isocyanato-3,5-dimethylisoxazole, 3,5-Dimethylisoxazol-4-ylisocyanate
| Molecular Formula | C6H6N2O2 |
|---|---|
| Molecular Weight | 138.04 g/mol |
| LogP | 1.25874 |
| Topological Polar Surface Area | 55.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.04292 |
| Heavy Atoms | 10 |
| Complexity | 264.43796 |
Chemical Identifiers
| CAS Number | 131825-41-7 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)N=C=O |
Product Overview
3,5-Dimethylisoxazole-4-isocyanate (CAS 131825-41-7), with molecular formula C6H6N2O2 and molecular weight 138.04 g/mol. IUPAC: 4-isocyanato-3,5-dimethyl-1,2-oxazole.
Chemical Property Profile of 3,5-Dimethylisoxazole-4-isocyanate
Property Insights of 3,5-Dimethylisoxazole-4-isocyanate
The XLogP value of 1.25874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethylisoxazole-4-isocyanate. With a topological polar surface area (TPSA) of 55.46 Ų, 3,5-Dimethylisoxazole-4-isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethylisoxazole-4-isocyanate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-Dimethylisoxazole-4-isocyanate?
The CAS number of 3,5-Dimethylisoxazole-4-isocyanate is 131825-41-7.
What is the molecular formula of 3,5-Dimethylisoxazole-4-isocyanate?
The molecular formula of 3,5-Dimethylisoxazole-4-isocyanate is C6H6N2O2.
What is the molecular weight of 3,5-Dimethylisoxazole-4-isocyanate?
The molecular weight of 3,5-Dimethylisoxazole-4-isocyanate is 138.04 g/mol.
Where can I buy 3,5-Dimethylisoxazole-4-isocyanate?
You can request a quote for 3,5-Dimethylisoxazole-4-isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethylisoxazole-4-isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethylisoxazole-4-isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.